2,9-dimethyl-1,7-phenanthroline

C14H12N2 — CID 66758842

IUPAC2,9-dimethyl-1,7-phenanthroline
SMILESCc1cnc2ccc3ccc(C)nc3c2c1
InChIInChI=1S/C14H12N2/c1-9-7-12-13(15-8-9)6-5-11-4-3-10(2)16-14(11)12/h3-8H,1-2H3
InChIKeyHOSUSOUFXMLERB-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.40
Rot. Bonds

About 2,9-dimethyl-1,7-phenanthroline

2,9-dimethyl-1,7-phenanthroline (PubChem CID 66758842) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,9-dimethyl-1,7-phenanthroline.

Molecular Properties

Compound Name2,9-dimethyl-1,7-phenanthroline
PubChem CID66758842
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2,9-dimethyl-1,7-phenanthroline
SMILESCc1cnc2ccc3ccc(C)nc3c2c1
InChIInChI=1S/C14H12N2/c1-9-7-12-13(15-8-9)6-5-11-4-3-10(2)16-14(11)12/h3-8H,1-2H3
InChIKeyHOSUSOUFXMLERB-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1,7-phenanthroline?
The IUPAC name of 2,9-dimethyl-1,7-phenanthroline (CID 66758842) is 2,9-dimethyl-1,7-phenanthroline.
What is the SMILES notation for 2,9-dimethyl-1,7-phenanthroline?
The canonical SMILES for 2,9-dimethyl-1,7-phenanthroline is Cc1cnc2ccc3ccc(C)nc3c2c1.
What is the InChIKey of 2,9-dimethyl-1,7-phenanthroline?
The InChIKey is HOSUSOUFXMLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-7-12-13(15-8-9)6-5-11-4-3-10(2)16-14(11)12/h3-8H,1-2H3.
What are the key properties of 2,9-dimethyl-1,7-phenanthroline?
2,9-dimethyl-1,7-phenanthroline has a molecular weight of 208.26 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1,7-phenanthroline is sourced from PubChem (CID 66758842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).